2,2-dimethyl-6-[3-(trifluoromethyl)pyrazol-1-yl]cyclohexan-1-ol

C12H17F3N2O — CID 79846933

IUPAC2,2-dimethyl-6-[3-(trifluoromethyl)pyrazol-1-yl]cyclohexan-1-ol
SMILESCC1(C)CCCC(n2ccc(C(F)(F)F)n2)C1O
InChIInChI=1S/C12H17F3N2O/c1-11(2)6-3-4-8(10(11)18)17-7-5-9(16-17)12(13,14)15/h5,7-8,10,18H,3-4,6H2,1-2H3
InChIKeyMUOUHIOHGGAOPI-UHFFFAOYSA-N
MW262.27 g/mol
LogP3.01
Rot. Bonds1

About 2,2-dimethyl-6-[3-(trifluoromethyl)pyrazol-1-yl]cyclohexan-1-ol

2,2-dimethyl-6-[3-(trifluoromethyl)pyrazol-1-yl]cyclohexan-1-ol (PubChem CID 79846933) has the molecular formula C12H17F3N2O and a molecular weight of 262.27 g/mol. Its IUPAC name is 2,2-dimethyl-6-[3-(trifluoromethyl)pyrazol-1-yl]cyclohexan-1-ol.

Molecular Properties

Compound Name2,2-dimethyl-6-[3-(trifluoromethyl)pyrazol-1-yl]cyclohexan-1-ol
PubChem CID79846933
Molecular FormulaC12H17F3N2O
Molecular Weight262.27 g/mol
Exact Mass262.13
IUPAC Name2,2-dimethyl-6-[3-(trifluoromethyl)pyrazol-1-yl]cyclohexan-1-ol
SMILESCC1(C)CCCC(n2ccc(C(F)(F)F)n2)C1O
InChIInChI=1S/C12H17F3N2O/c1-11(2)6-3-4-8(10(11)18)17-7-5-9(16-17)12(13,14)15/h5,7-8,10,18H,3-4,6H2,1-2H3
InChIKeyMUOUHIOHGGAOPI-UHFFFAOYSA-N
XLogP3.01
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-6-[3-(trifluoromethyl)pyrazol-1-yl]cyclohexan-1-ol?
The IUPAC name of 2,2-dimethyl-6-[3-(trifluoromethyl)pyrazol-1-yl]cyclohexan-1-ol (CID 79846933) is 2,2-dimethyl-6-[3-(trifluoromethyl)pyrazol-1-yl]cyclohexan-1-ol.
What is the SMILES notation for 2,2-dimethyl-6-[3-(trifluoromethyl)pyrazol-1-yl]cyclohexan-1-ol?
The canonical SMILES for 2,2-dimethyl-6-[3-(trifluoromethyl)pyrazol-1-yl]cyclohexan-1-ol is CC1(C)CCCC(n2ccc(C(F)(F)F)n2)C1O.
What is the InChIKey of 2,2-dimethyl-6-[3-(trifluoromethyl)pyrazol-1-yl]cyclohexan-1-ol?
The InChIKey is MUOUHIOHGGAOPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N2O/c1-11(2)6-3-4-8(10(11)18)17-7-5-9(16-17)12(13,14)15/h5,7-8,10,18H,3-4,6H2,1-2H3.
What are the key properties of 2,2-dimethyl-6-[3-(trifluoromethyl)pyrazol-1-yl]cyclohexan-1-ol?
2,2-dimethyl-6-[3-(trifluoromethyl)pyrazol-1-yl]cyclohexan-1-ol has a molecular weight of 262.27 g/mol, XLogP of 3.01, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-6-[3-(trifluoromethyl)pyrazol-1-yl]cyclohexan-1-ol is sourced from PubChem (CID 79846933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).